(2S)-1-methoxy-N-[(3-methoxyphenyl)methyl]propan-2-amine

C12H19NO2 — CID 781281

IUPAC(2S)-1-methoxy-N-[(3-methoxyphenyl)methyl]propan-2-amine
SMILESCOC[C@H](C)NCc1cccc(OC)c1
InChIInChI=1S/C12H19NO2/c1-10(9-14-2)13-8-11-5-4-6-12(7-11)15-3/h4-7,10,13H,8-9H2,1-3H3/t10-/m0/s1
InChIKeyRPSBMRKZOPGLSG-JTQLQIEISA-N
MW209.29 g/mol
LogP1.82
Rot. Bonds6

About (2S)-1-methoxy-N-[(3-methoxyphenyl)methyl]propan-2-amine

(2S)-1-methoxy-N-[(3-methoxyphenyl)methyl]propan-2-amine (PubChem CID 781281) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (2S)-1-methoxy-N-[(3-methoxyphenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-methoxy-N-[(3-methoxyphenyl)methyl]propan-2-amine
PubChem CID781281
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(2S)-1-methoxy-N-[(3-methoxyphenyl)methyl]propan-2-amine
SMILESCOC[C@H](C)NCc1cccc(OC)c1
InChIInChI=1S/C12H19NO2/c1-10(9-14-2)13-8-11-5-4-6-12(7-11)15-3/h4-7,10,13H,8-9H2,1-3H3/t10-/m0/s1
InChIKeyRPSBMRKZOPGLSG-JTQLQIEISA-N
XLogP1.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-N-[(3-methoxyphenyl)methyl]propan-2-amine
CID 65025454
2-[(3-methoxyphenyl)methylamino]propan-1-ol
CID 43499761
3-[(3-methoxyphenyl)methylamino]butan-1-ol
CID 78998469
1-methoxy-N-[(3-methylphenyl)methyl]propan-2-amine bromide
CID 53314010
1-methoxy-N-[(3-methylphenyl)methyl]propan-2-amine;propane
CID 142218132
1-N-tert-butyl-2-N-[(3-methoxyphenyl)methyl]propane-1,2-diamine
CID 113407506
(2S)-1-methoxy-N-[(3-nitrophenyl)methyl]propan-2-amine
CID 872134
N-[(3-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43221152
1-(2,3-difluorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 103878320
methyl 2-[(3-methoxyphenyl)methylamino]-3-methylbutanoate
CID 60690958
(1S)-1-(furan-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 81402590
2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 17295666

Frequently Asked Questions

What is the IUPAC name of (2S)-1-methoxy-N-[(3-methoxyphenyl)methyl]propan-2-amine?
The IUPAC name of (2S)-1-methoxy-N-[(3-methoxyphenyl)methyl]propan-2-amine (CID 781281) is (2S)-1-methoxy-N-[(3-methoxyphenyl)methyl]propan-2-amine.
What is the SMILES notation for (2S)-1-methoxy-N-[(3-methoxyphenyl)methyl]propan-2-amine?
The canonical SMILES for (2S)-1-methoxy-N-[(3-methoxyphenyl)methyl]propan-2-amine is COC[C@H](C)NCc1cccc(OC)c1.
What is the InChIKey of (2S)-1-methoxy-N-[(3-methoxyphenyl)methyl]propan-2-amine?
The InChIKey is RPSBMRKZOPGLSG-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19NO2/c1-10(9-14-2)13-8-11-5-4-6-12(7-11)15-3/h4-7,10,13H,8-9H2,1-3H3/t10-/m0/s1.
What are the key properties of (2S)-1-methoxy-N-[(3-methoxyphenyl)methyl]propan-2-amine?
(2S)-1-methoxy-N-[(3-methoxyphenyl)methyl]propan-2-amine has a molecular weight of 209.29 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methoxy-N-[(3-methoxyphenyl)methyl]propan-2-amine is sourced from PubChem (CID 781281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).